SCHEMBL6157542

SCHEMBL6157542

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1c[nH]c2cc(OC)ccc12)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.49
MTNR1B P49286 6/20 0.49
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A1 P04798 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
NQO2 P16083 1/20 0.41
HTR2B P41595 1/20 0.41
RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6158570 0.90 CASP1 (0.49) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL6159833 0.89 CASP1 (0.54) MTNR1AMAPK1MEN1KMT2AMAPT
SCHEMBL6157870 0.86 CASP1 (0.56) MTNR1AMTNR1BMEN1KMT2ACASP1
SCHEMBL6157421 0.82 CASP1 (0.41) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL6157558 0.74 KMT2A (0.48) MTNR1AMTNR1BHPGDKMT2AMAPT
SCHEMBL14368085 0.72 MTNR1A (0.78) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL1129785 0.69 MTNR1A (0.77) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL7487986 0.68 CASP1 (0.55) MAPK1GAACASP1
SCHEMBL4490583 0.68 MTNR1A (1.00) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL30630306 0.68 MTNR1A (1.00) MTNR1AMTNR1BHPGDMAPK1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP claimed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
EP-1428531-A1 Oxyiminoalkanoic acid derivatives with hypoglycemic and hypolipidemic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-16 EP disclosed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A MTNR1A 114/4885MTNR1B 137/4885HPGD 1372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.